ID: 79738
SMILES:c1(CCCCC)cc(O)c(C2C(C(C)(C)O)CCC(C)=C2)cc1O
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 332.484
CB1 binding score: -17.474
InChIKey:IDVWWLFEUSIZSP-UHFFFAOYSA-N
ID: 79739
SMILES:C12C=C(CO)C(O)CC1C(C)(C)Oc1cc(CCCCC)cc(O)c12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 346.467
CB1 binding score: -16.967
InChIKey:XTDYIISRNODHHT-UHFFFAOYSA-N
ID: 79740
SMILES:c1(CCCCC)cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 79741
SMILES:C1C2(OC2)C2C(C1)C(C)(C)Oc1cc(C(CC=C(C)C)=O)c(OC)cc12
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.462
CB1 binding score: Not available
InChIKey:DIXFMSYDABZQKV-UHFFFAOYSA-N
ID: 79742
SMILES:C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 79743
SMILES:c1(C=O)c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC12
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 342.479
CB1 binding score: -18.286
InChIKey:NQFUEDHWQJVOKZ-UHFFFAOYSA-N
ID: 79744
SMILES:C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -21.121
InChIKey:HCAWPGARWVBULJ-UHFFFAOYSA-N
ID: 79745
SMILES:C1CC(C)C2=C(c3c(O)cc(CCCCC)cc3OC2C=C(C)C)C1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 340.507
CB1 binding score: -17.676
InChIKey:SDHJXVDKLNLLFY-UHFFFAOYSA-N
ID: 79746
SMILES:C1CCC2(C)C(C1(C)C)C(O)c1c(cc(CCCCC)c(C(=O)O)c1O)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 376.493
CB1 binding score: -14.394
InChIKey:DRSQDRDOBPCOSH-UHFFFAOYSA-N
ID: 79747
SMILES:C(=O)(OC)C1=CC2C(CC1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 358.478
CB1 binding score: -17.943
InChIKey:CCMWHLPOQSRJEP-UHFFFAOYSA-N
ID: 79748
SMILES:C1C2(C3C(C(OC(C)=O)C2)C(C)(C)Oc2c(CCCCC)cc(O)cc23)O1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 374.477
CB1 binding score: -16.764
InChIKey:IURCMEYIFWFSJM-UHFFFAOYSA-N
ID: 79749
SMILES:C12(C)Oc3c(O)cc(CCCCC)cc3CC1C=C(C(O)(C)C)CC2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 344.495
CB1 binding score: -15.071
InChIKey:WDJIRIXZTRAUIP-UHFFFAOYSA-N
ID: 79750
SMILES:c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2=C(C)CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 300.442
CB1 binding score: -19.524
InChIKey:USODFRMMCODFKQ-UHFFFAOYSA-N
ID: 79751
SMILES:c1(C2C(C(C)=C)C(c3cc(CC[N+](C)(O)C)ccc3O)CC(C)=C2)ccccc1O
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 408.562
CB1 binding score: -14.462
InChIKey:GUBAMRNWADYGNC-UHFFFAOYSA-O
ID: 79752
SMILES:C1=C(C)CCC(C(=C)C)C1c1ccc(CCCCC)c(O)c1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 298.47
CB1 binding score: -17.701
InChIKey:GLWWBCAZFMPOBS-UHFFFAOYSA-N
ID: 79753
SMILES:C1C(C)(C)C2C(C)(CC1)Oc1c(c(O)cc(CCCCC)c1)C2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 316.485
CB1 binding score: -18.783
InChIKey:KPTGTVLDBMVBEX-UHFFFAOYSA-N
ID: 79754
SMILES:C(CCC)Cc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 314.469
CB1 binding score: -20.604
InChIKey:CYQFCXCEBYINGO-UHFFFAOYSA-N
ID: 79755
SMILES:C1C2C(C)(C)C3C(c4c(O)cc(CCCCC)cc4C12)O3
Pathway: Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 286.415
CB1 binding score: -15.834
InChIKey:OSMDDSJYMIPPED-UHFFFAOYSA-N
ID: 79756
SMILES:c1(=O)cc2c(cc(CCCCC)c1)OC(C)(C)C1C2CC(C)=CC1
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 326.48
CB1 binding score: -16.352
InChIKey:HBEKGUVOOOGBOV-UHFFFAOYSA-N
ID: 79757
SMILES:C(c1ccc(O)c(CC=C(CCC=C(C)C)C)c1)CCCC
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids;Aromatic polyketides
Class: Cannabinoids;Catechols with side chains
MW: 300.486
CB1 binding score: -19.441
InChIKey:VPIIPBDTVZXIEC-UHFFFAOYSA-N
ID: 79758
SMILES:C(CCC(C)C)C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C
Pathway: Polyketides;Terpenoids
Superclass: Meroterpenoids
Class: Cannabinoids
MW: 356.55
CB1 binding score: -17.028
InChIKey:XDVTYHNFWRFWSU-UHFFFAOYSA-N